2,2,3,3-tetrafluorocyclobutane-1-carboxylate

C5H3F4O2- — CID 74420491

IUPAC2,2,3,3-tetrafluorocyclobutane-1-carboxylate
SMILESO=C([O-])C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11)/p-1
InChIKeyYPIGSOZDUWOJQG-UHFFFAOYSA-M
MW171.07 g/mol
LogP0.03
Rot. Bonds1

About 2,2,3,3-tetrafluorocyclobutane-1-carboxylate

2,2,3,3-tetrafluorocyclobutane-1-carboxylate (PubChem CID 74420491) has the molecular formula C5H3F4O2- and a molecular weight of 171.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Name2,2,3,3-tetrafluorocyclobutane-1-carboxylate
PubChem CID74420491
Molecular FormulaC5H3F4O2-
Molecular Weight171.07 g/mol
Exact Mass171.01
IUPAC Name2,2,3,3-tetrafluorocyclobutane-1-carboxylate
SMILESO=C([O-])C1CC(F)(F)C1(F)F
InChIInChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11)/p-1
InChIKeyYPIGSOZDUWOJQG-UHFFFAOYSA-M
XLogP0.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluorocyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enoic acid;hydrochloride
CID 88759861
(2R)-cyclopropane-1,1,2-tricarboxylate
CID 6923149
2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
CID 45081928
(1R)-2,2,3,3-tetrafluoro-N-(3,4,5-tribromophenyl)cyclobutane-1-carboxamide
CID 28936618
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate
CID 150516484
pentapotassium;cyclopentane-1,1,2,4,4-pentacarboxylate
CID 101297805
2,2-difluorocyclopropane-1-carbonyl iodide
CID 90251156
(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920
sodium cis-(1S,2S)-2-fluorocyclopropane-1-carboxylate
CID 67083304
(3R)-2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 6931352
cis-(1S,2R)-2-azaniumyl-2-methylcyclopentane-1-carboxylate
CID 39345418
4,4,5-trimethylcyclopentane-1,3-dicarboxylate
CID 4289067

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
The IUPAC name of 2,2,3,3-tetrafluorocyclobutane-1-carboxylate (CID 74420491) is 2,2,3,3-tetrafluorocyclobutane-1-carboxylate.
What is the SMILES notation for 2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
The canonical SMILES for 2,2,3,3-tetrafluorocyclobutane-1-carboxylate is O=C([O-])C1CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
The InChIKey is YPIGSOZDUWOJQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11)/p-1.
What are the key properties of 2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
2,2,3,3-tetrafluorocyclobutane-1-carboxylate has a molecular weight of 171.07 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluorocyclobutane-1-carboxylate is sourced from PubChem (CID 74420491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).